8-(3-chloro-4-pyridinyl)-2-oxa-8-azaspiro[5.5]undecane

C14H19ClN2O — CID 86769538

IUPAC8-(3-chloro-4-pyridinyl)-2-oxa-8-azaspiro[5.5]undecane
SMILESClc1cnccc1N1CCCC2(CCCOC2)C1
InChIInChI=1S/C14H19ClN2O/c15-12-9-16-6-3-13(12)17-7-1-4-14(10-17)5-2-8-18-11-14/h3,6,9H,1-2,4-5,7-8,10-11H2
InChIKeyUBMKHJALQNAVPQ-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.13
Rot. Bonds1

About 8-(3-chloro-4-pyridinyl)-2-oxa-8-azaspiro[5.5]undecane

8-(3-chloro-4-pyridinyl)-2-oxa-8-azaspiro[5.5]undecane (PubChem CID 86769538) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 8-(3-chloro-4-pyridinyl)-2-oxa-8-azaspiro[5.5]undecane.

Molecular Properties

Compound Name8-(3-chloro-4-pyridinyl)-2-oxa-8-azaspiro[5.5]undecane
PubChem CID86769538
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name8-(3-chloro-4-pyridinyl)-2-oxa-8-azaspiro[5.5]undecane
SMILESClc1cnccc1N1CCCC2(CCCOC2)C1
InChIInChI=1S/C14H19ClN2O/c15-12-9-16-6-3-13(12)17-7-1-4-14(10-17)5-2-8-18-11-14/h3,6,9H,1-2,4-5,7-8,10-11H2
InChIKeyUBMKHJALQNAVPQ-UHFFFAOYSA-N
XLogP3.13
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(3-chloro-4-pyridinyl)-2-oxa-8-azaspiro[5.5]undecane?
The IUPAC name of 8-(3-chloro-4-pyridinyl)-2-oxa-8-azaspiro[5.5]undecane (CID 86769538) is 8-(3-chloro-4-pyridinyl)-2-oxa-8-azaspiro[5.5]undecane.
What is the SMILES notation for 8-(3-chloro-4-pyridinyl)-2-oxa-8-azaspiro[5.5]undecane?
The canonical SMILES for 8-(3-chloro-4-pyridinyl)-2-oxa-8-azaspiro[5.5]undecane is Clc1cnccc1N1CCCC2(CCCOC2)C1.
What is the InChIKey of 8-(3-chloro-4-pyridinyl)-2-oxa-8-azaspiro[5.5]undecane?
The InChIKey is UBMKHJALQNAVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c15-12-9-16-6-3-13(12)17-7-1-4-14(10-17)5-2-8-18-11-14/h3,6,9H,1-2,4-5,7-8,10-11H2.
What are the key properties of 8-(3-chloro-4-pyridinyl)-2-oxa-8-azaspiro[5.5]undecane?
8-(3-chloro-4-pyridinyl)-2-oxa-8-azaspiro[5.5]undecane has a molecular weight of 266.77 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-chloro-4-pyridinyl)-2-oxa-8-azaspiro[5.5]undecane is sourced from PubChem (CID 86769538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).